9-chlorodec-9-enenitrile

• ChemBase ID: 86485
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: N#CCCCCCCCC(=C)Cl
• Canonical SMILES: N#CCCCCCCCC(=C)Cl
• InChI: InChI=1S/C10H16ClN/c1-10(11)8-6-4-2-3-5-7-9-12/h1-8H2
• InChIKey: GDBQXEOLOCZOQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-chlorodec-9-enenitrile
• IUPAC Traditional name: 9-chlorodec-9-enenitrile
• Synonyms: 9-Chlorodec-9-enenitrile

Database IDs

• MDL Number: MFCD09801070
• PubChem SID: 162073601
• PubChem CID: 24721697

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4239874
• LogD (pH = 7.4): 3.4239874
• Log P: 3.4239874
• Molar Refractivity: 53.3712 cm^3
• Polarizability: 20.570858 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true